2-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]carbonyl-4-methoxy-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]carbonyl-4-methoxy-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxy-phenyl]-2-oxo-acetic acid CAS Name: 2-[3-[[4-[(4-fluorophenyl)methyl]-1-piperidinyl]-oxomethyl]-4-methoxyphenyl]-2-oxoacetic acid IUPAC Name: 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-2-oxoacetic acid Traditional Name: 2-[3-[4-(4-fluorobenzyl)piperidine-1-carbonyl]-4-methoxy-phenyl]-2-keto-acetic acid Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(=O)O)C(=O)N2CCC(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(=O)O)C(=O)N2CCC(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO5/c1-29-19-7-4-16(20(25)22(27)28)13-18(19)21(26)24-10-8-15(9-11-24)12-14-2-5-17(23)6-3-14/h2-7,13,15H,8-12H2,1H3,(H,27,28)